0 B16R2.211752 COC(=O)C1=C(C2C=CC1C2)C(=O)OC MCULE-7367618923 [0,0,0,0,0,0|0,0,2]=2 1 B16R2.211752 COC(=O)C1=C(C2C=CC1O2)C(=O)OC MCULE-5740917470 [0,0,0,0,0,0|1,0,2]=3 2 B16R2.211752 COC(=O)C1C2C=CC(C2)C1C(=O)OC MCULE-6136215019 [0,0,0,0,0,0|0,0,0]=0 3 B16R2.211752 COC(=O)C1C2CCC(N2)C1C(=O)OC MCULE-4236143278 [0,0,0,0,0,0|1,0,2]=3 4 B16R2.211752 COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2)[C@@H]1C(=O)OC MCULE-8054779667 [0,0,0,0,0,0|1,0,2]=3 5 B16R2.211752 COC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)OC MCULE-6809239610 [0,0,0,0,0,0|0,0,0]=0 6 B16R2.211752 [C@@H]12C=C[C@@H](C1)C(=C2C(=O)OC)C(=O)OC MCULE-8103491593 [0,0,0,0,0,0|0,0,2]=2 7 B15R2.23390 CNC(=O)C1C2C=CC(C2)C1C(=O)O MCULE-8009960987 [1,0,0,0,0,0|1,0,0]=2 8 B15R2.23390 COC(=O)C1C2C=CC(C2)C1C(=O)N MCULE-7513045633 [1,0,0,0,0,0|1,0,0]=2 9 B15R2.23390 COC(=O)C1C2C=CC(C2)C1C(=O)O MCULE-8245989851 [1,0,0,0,0,0|0,0,0]=1 10 B15R2.23390 COC(=O)C1C2CCC(C2)C1C(=O)O MCULE-7942153054 [1,0,0,0,0,0|0,0,2]=3 11 B15R2.23390 COC(=O)[C@@H]1C2C=CC(C2)[C@H]1C(=O)O MCULE-8956541051 [1,0,0,0,0,0|0,0,0]=1 12 B15R2.23390 COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N MCULE-1707075308 [1,0,0,0,0,0|1,0,0]=2 13 B15R2.23390 COC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O MCULE-9344740225 [1,0,0,0,0,0|1,0,2]=4 14 B15R2.23390 [C@@H]12C=C[C@@H](C1)C(C2C(=O)O)C(=O)OC MCULE-8530117526 [1,0,0,0,0,0|0,0,0]=1 15 B15R2.23390 [C@@H]12C=C[C@@H](C1)[C@@H]([C@@H]2C(=O)O)C(=O)OC MCULE-3928104683 [1,0,0,0,0,0|0,0,0]=1 16 B17R2.451845 COC(=O)[C@H]1C2CCC(C2)[C@@]1(C)C(=O)OC MCULE-5396747331 [0,1,0,0,0,0|0,0,2]=3 17 B15R1.11818 COC(=O)CC(C(=O)OC)C1=CC=NO1 MCULE-7657495176 [0,0,1,0,0,0|2,0,1]=4 18 B15R1.11818 COC(=O)CC(C(=O)OC)N1CCCC1 MCULE-2895798064 [0,0,1,0,0,0|1,0,2]=4 19 B15R1.21841 COC(=O)C1CCC(N1C(=O)OC)OC MCULE-3939935530 [0,0,1,0,0,0|2,0,1]=4 20 B17R3.1435936 [C@@H]12C=C[C@@H](C1)[C@]3([C@@H]2C(=O)C=C3)C(=O)OC MCULE-8583792412 [0,0,0,1,0,0|1,0,1]=3 21 B14R1.746 COC(=O)C1=C(CC=CC1)C(=O)OC MCULE-9708384047 [1,0,1,0,0,0|0,0,2]=4 22 B14R1.746 COC(=O)C1CC=CCC1C(=O)OC MCULE-9108670901 [1,0,1,0,0,0|0,0,0]=2 23 B14R1.746 COC(=O)C1CCCCC1C(=O)OC MCULE-1946989517 [1,0,1,0,0,0|0,0,2]=4 24 B14R1.746 COC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC MCULE-7688397006 [1,0,1,0,0,0|0,0,0]=2 25 B14R1.746 COC(=O)[C@@H]1CCCC[C@H]1C(=O)OC MCULE-8018165257 [1,0,1,0,0,0|0,0,2]=4 26 B14R1.746 COC(=O)[C@@H]1CCCC[C@H]1C(=O)OC MCULE-8069689268 [1,0,1,0,0,0|0,0,2]=4 27 B14R1.746 COC(=O)[C@@H]1CCCC[C@H]1C(=O)OC MCULE-9404392324 [1,0,1,0,0,0|0,0,2]=4 28 B14R1.746 COC(=O)[C@H]1CC=CC[C@H]1C(=O)OC MCULE-8220415981 [1,0,1,0,0,0|0,0,0]=2 29 B14R1.746 COC(=O)[C@H]1CCCC[C@@H]1C(=O)OC MCULE-2945760225 [1,0,1,0,0,0|0,0,2]=4 30 B14R1.746 COC(=O)[C@H]1CCCC[C@@H]1C(=O)OC MCULE-8932189834 [1,0,1,0,0,0|0,0,2]=4 31 B14R1.746 COC(=O)[C@H]1CCCC[C@H]1C(=O)OC MCULE-4306370291 [1,0,1,0,0,0|0,0,2]=4 32 B14R1.746 [C@H]1(CC=CC[C@H]1C(=O)OC)C(=O)OC MCULE-4264397804 [1,0,1,0,0,0|0,0,0]=2 33 B14R2.30639 NC(=O)C1C2C=CC(C2)C1C(=O)O MCULE-5218628817 [2,0,0,0,0,0|1,0,0]=3 34 B14R2.30639 NC(=O)C1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O MCULE-1137933992 [2,0,0,0,0,0|1,0,0]=3 35 B14R2.30639 O=C(Cl)C1C2C=CC(C2)C1C(=O)Cl MCULE-7733527385 [2,0,0,0,0,0|2,0,0]=4 36 B14R2.30639 O=C(Cl)[C@@H]1C2C=CC(C2)[C@H]1C(=O)Cl MCULE-7383729976 [2,0,0,0,0,0|2,0,0]=4 37 B14R2.30639 O=C(O)C1=C(C2C=CC1C2)C(=O)O MCULE-7592737892 [2,0,0,0,0,0|0,0,2]=4 38 B14R2.30639 O=C(O)C1=C([C@H]2C=C[C@@H]1C2)C(=O)O MCULE-2960162567 [2,0,0,0,0,0|0,0,2]=4 39 B14R2.30639 O=C(O)C1C2C=CC(C2)C1C(=O)O MCULE-8919412541 [2,0,0,0,0,0|0,0,0]=2 40 B14R2.30639 O=C(O)C1C2C=CC(C2)C1C(=O)S MCULE-9895257406 [2,0,0,0,0,0|0,1,0]=3 41 B14R2.30639 O=C(O)C1C2C=CC(O2)C1C(=O)O MCULE-8798786679 [2,0,0,0,0,0|1,0,0]=3 42 B14R2.30639 O=C(O)C1C2CCC(C2)C1C(=O)O MCULE-1323235294 [2,0,0,0,0,0|0,0,2]=4 43 B14R2.30639 O=C(O)C1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O MCULE-7820506772 [2,0,0,0,0,0|0,0,0]=2 44 B14R2.30639 O=C(O)C1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O MCULE-9676770990 [2,0,0,0,0,0|0,0,0]=2 45 B14R2.30639 O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O MCULE-4713578355 [2,0,0,0,0,0|0,0,0]=2 46 B14R2.30639 O=C(O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O MCULE-9798718462 [2,0,0,0,0,0|0,0,0]=2 47 B14R2.30639 O=C(O)[C@H]1C2C=CC(C2)[C@H]1C(=O)O MCULE-8822877886 [2,0,0,0,0,0|0,0,0]=2 48 B14R2.30639 O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O MCULE-7734959266 [2,0,0,0,0,0|0,0,0]=2 49 B14R2.30639 O=C([O-])C1C2C=CC(C2)C1C(=O)[O-] MCULE-9929818229 [2,0,0,0,0,0|0,0,2]=4 50 B14R2.30639 O=C([O-])C1C2C=CC(C2)C1C(=O)[S-] MCULE-3545136946 [2,0,0,0,0,0|0,1,1]=4 51 B14R2.30639 [C@@H]12C=C[C@@H](C1)C(C2C(=O)O)C(=O)O MCULE-8291823725 [2,0,0,0,0,0|0,0,0]=2 52 B14R2.30639 [C@@H]12C=C[C@@H](C1)[C@H]([C@@H]2C(=O)O)C(=O)O MCULE-8179123738 [2,0,0,0,0,0|0,0,0]=2 53 B14R2.30639 [C@@H]12C=C[C@H](C1)[C@@H]([C@@H]2C(=O)O)C(=O)O MCULE-7360010809 [2,0,0,0,0,0|0,0,0]=2 54 B16R2.142694 CN(C)C(=O)C1C2C=CC(C2)C1C(=O)O MCULE-7377924215 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.2985 COC(=O)C(C(=O)OC)C1CCCC1 MCULE-4545104811 [0,0,1,0,1,0|0,0,2]=4 56 B14R1.2985 COC(=O)C(C(=O)OC)C1CCSS1 MCULE-9841595977 [0,0,1,0,1,0|2,0,0]=4